General Information of the Compound
| Compound ID |
CP0379085
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| Compound Name |
(2S)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2R)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-phenylpropanamide
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| Structure |
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| Formula |
C37H42N8O5
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| Molecular Weight |
678.794
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| Canonical SMILES |
C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C37H42N8O5/c1-21(33(39)46)42-34(47)22(2)43-36(49)32(18-25-20-41-30-15-9-7-13-27(25)30)45-37(50)31(16-23-10-4-3-5-11-23)44-35(48)28(38)17-24-19-40-29-14-8-6-12-26(24)29/h3-15,19-22,28,31-32,40-41H,16-18,38H2,1-2H3,(H2,39,46)(H,42,47)(H,43,49)(H,44,48)(H,45,50)/t21-,22-,28+,31-,32+/m0/s1
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| InChIKey |
KQJXXZXJHBEPSN-ZMJWJFPJSA-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