General Information of the Compound
| Compound ID |
CP0514021
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| Compound Name |
(2S)-2-[[(2S,3S)-2-[[(3S,6S,12S)-12-[3-(diaminomethylideneamino)propyl]-5,11,14-trioxo-20-oxa-4,10,13-triazatricyclo[19.2.2.06,10]pentacosa-1(24),21(25),22-triene-3-carbonyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
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| Structure |
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| Formula |
C38H60N8O8
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| Molecular Weight |
756.946
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(OCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N3CCC[C@H]3C(=O)N1)cc2)C(=O)N[C@@H](CC(C)C)C(O)=O
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| InChI |
InChI=1S/C38H60N8O8/c1-5-24(4)32(35(50)44-29(37(52)53)21-23(2)3)45-33(48)28-22-25-14-16-26(17-15-25)54-20-8-6-7-13-31(47)42-27(11-9-18-41-38(39)40)36(51)46-19-10-12-30(46)34(49)43-28/h14-17,23-24,27-30,32H,5-13,18-22H2,1-4H3,(H,42,47)(H,43,49)(H,44,50)(H,45,48)(H,52,53)(H4,39,40,41)/t24-,27-,28-,29-,30-,32-/m0/s1
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| InChIKey |
LTVAGLBMDPWQGE-KEIDJTHHSA-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