General Information of the Compound
| Compound ID |
CP0392267
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| Compound Name |
(2S)-2,6-diamino-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]hexanamide
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| Structure |
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| Formula |
C53H69N9O6
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| Molecular Weight |
928.192
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@@H](N)CCCCN)C(c1ccccc1)c1ccccc1)C(N)=O
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| InChI |
InChI=1S/C53H69N9O6/c1-33(2)28-42(48(56)63)58-50(65)43(29-34(3)4)59-52(67)45(31-38-32-57-41-26-15-14-24-39(38)41)60-51(66)44(30-35-18-8-5-9-19-35)61-53(68)47(62-49(64)40(55)25-16-17-27-54)46(36-20-10-6-11-21-36)37-22-12-7-13-23-37/h5-15,18-24,26,32-34,40,42-47,57H,16-17,25,27-31,54-55H2,1-4H3,(H2,56,63)(H,58,65)(H,59,67)(H,60,66)(H,61,68)(H,62,64)/t40-,42-,43-,44-,45+,47+/m0/s1
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| InChIKey |
ZCJWYBTXONEDRR-GNIYVIBXSA-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