General Information of the Compound
| Compound ID |
CP0380290
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| Compound Name |
(3S)-4-[(2S)-2-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[(5S)-7-[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-[[(2S)-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]butanoic acid
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| Structure |
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| Formula |
C69H93N15O15
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| Molecular Weight |
1372.593
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| Canonical SMILES |
CC(C)C[C@H](N1CC[C@@]2(CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)C2CCCN2)C1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C69H93N15O15/c1-39(2)32-55(65(96)77-49(58(72)89)35-43-38-74-46-17-8-7-16-45(43)46)83-31-26-69(68(83)99)25-13-30-84(69)67(98)52(34-42-21-23-44(85)24-22-42)81-62(93)50(33-41-14-5-4-6-15-41)78-61(92)48(18-9-10-27-70)76-63(94)51(36-56(71)86)79-64(95)54-20-12-29-82(54)66(97)53(37-57(87)88)80-59(90)40(3)75-60(91)47-19-11-28-73-47/h4-8,14-17,21-24,38-40,47-55,73-74,85H,9-13,18-20,25-37,70H2,1-3H3,(H2,71,86)(H2,72,89)(H,75,91)(H,76,94)(H,77,96)(H,78,92)(H,79,95)(H,80,90)(H,81,93)(H,87,88)/t40-,47?,48-,49-,50-,51-,52-,53-,54-,55-,69-/m0/s1
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| InChIKey |
ZGWMZTZKJBLVMI-BOQZUZHWSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound